N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]-3-nitro-benzamide Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c27-21(17-8-6-10-19(15-17)26(31)32)23-20(22(28)24-11-3-1-2-4-12-24)14-16-7-5-9-18(13-16)25(29)30/h5-10,13-15H,1-4,11-12H2,(H,23,27)/b20-14-